Glycoside
GD019920
Name:
NoneFormula:
C22H25O9N7SSmiles:
COC(=O)c1ccccc1C(=O)CCC(=O)NS(=O)(=O)NC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)NC(=O)CCC(=O)c1ccccc1C(=O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 10 |
| MolWt: | 563.55 | Num_heavy_atoms: | 39 |
| TPSA: | 237.95 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD13829
Formula: C13H16O6N2S
Smiles:
CNS(=O)(=O)NC(=O)CCC(=O)c1ccccc1C(=O)OC| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 328.35 | Num_heavy_atoms: | 22 |
| TPSA: | 118.64 | NumAromaticRings: | 1 |
